Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C23H26N4O/c28-23(20-8-2-1-3-9-20)25-12-6-14-26-15-17-27(18-16-26)22-21-10-5-4-7-19(21)11-13-24-22/h1-5,7-11,13H,6,12,14-18H2,(H,25,28) |
InChIKey | InChI | 1.03 | FJTUELRAUXXLBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4 |
SMILES | CACTVS | 3.385 | O=C(NCCCN1CCN(CC1)c2nccc3ccccc23)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3 |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)NCCCN2CCN(CC2)c3c4ccccc4ccn3 |